SCHEMBL27739331

SCHEMBL27739331

CC(=O)OC(C)c1ccc(NC2=NC(=O)C(=Cc3ccc4ccccc4c3)S2)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 11/20 0.46
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CISD1 Q9NZ45 1/20 0.37
PIM1 P11309 1/20 0.36
RAB9A P51151 1/20 0.36
HTT P42858 1/20 0.35
CYP26A1 O43174 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4668220 0.85 ALOX5 (0.46) ALOX5MEN1KMT2AMAPTALDH1A1
SCHEMBL4668224 0.85 ALOX5 (0.46) ALOX5MEN1KMT2AMAPTALDH1A1
Acetic Acid SCHEMBL4132772 0.81 ALOX5 (0.47) ALOX5MEN1KMT2AMAPTALDH1A1
Acetic Acid SCHEMBL4132773 0.81 ALOX5 (0.47) ALOX5MEN1KMT2AMAPTALDH1A1
SCHEMBL4127367 0.78 ALOX5 (0.51) ALOX5MEN1KMT2APIM1RAB9A
SCHEMBL4127370 0.78 ALOX5 (0.51) ALOX5MEN1KMT2APIM1RAB9A
SCHEMBL4138341 0.77 ALOX5 (0.46) ALOX5MEN1KMT2AMAPTALDH1A1
SCHEMBL4138347 0.77 ALOX5 (0.46) ALOX5MEN1KMT2AMAPTALDH1A1
SCHEMBL4140263 0.77 ALOX5 (0.47) ALOX5MEN1KMT2APIM1RAB9A
SCHEMBL4140267 0.77 ALOX5 (0.47) ALOX5MEN1KMT2APIM1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101268060-A Thiazolinone and oxazolinone compounds and application thereof as PTP1B inhibitor TORRENT PHARMACEUTICALS LTD (IN) 2008-09-17 CN claimed
CN-101268060-A Thiazolinone and oxazolinone compounds and application thereof as PTP1B inhibitor TORRENT PHARMACEUTICALS LTD (IN) 2008-09-17 CN disclosed